PUBCHEM-ZINC06068311 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.4600 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7540 -0.6130 1.1310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4860 -0.1710 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -0.3740 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.2440 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.4170 -1.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5360 0.1800 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.9170 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.6910 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.1260 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.0930 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -4.9860 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -4.6090 0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -6.4600 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -7.2530 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -8.7480 0.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0850 -8.9410 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -9.1890 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -10.5570 -0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -9.5220 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -10.3180 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -11.0280 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -10.9420 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -10.1460 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -9.4400 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.5390 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.8410 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.8860 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.7380 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.5450 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -1.2220 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.7390 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -1.0280 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.0970 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.2460 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.5950 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -2.6030 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -2.3060 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -6.6650 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -6.7550 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -7.0470 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -6.9570 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -8.5690 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -9.0800 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -10.9040 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -10.3860 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -11.6490 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -11.4950 3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 -10.0780 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -8.8220 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.1180 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.6240 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -0.2730 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M CHG 1 2 1 M END